minimization, saving coords in binary
 &data
     ntrun=4, 
     nsave=2, 
     ndiag=2, 
     cut=95.0, 
     nprint=100,
     drms=0.00001, 
     maxcyc=100, 
     bdwnhl=0.01, 
     dfpred=0.1,
     scnb=2.0, 
     scee=2.0, 
     nvect=200, 
     ntxo=0,
 &end